N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide

C18H19F3N4O4S — CID 41106065

IUPACN-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1)NC[C@H]1CCCO1
InChIInChI=1S/C18H19F3N4O4S/c19-18(20,21)12-4-1-3-11(7-12)16(27)23-9-15-24-25-17(29-15)30-10-14(26)22-8-13-5-2-6-28-13/h1,3-4,7,13H,2,5-6,8-10H2,(H,22,26)(H,23,27)/t13-/m1/s1
InChIKeyDIHAOKFZMJQRAG-CYBMUJFWSA-N
MW444.44 g/mol
LogP2.41
Rot. Bonds8

About N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide

N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 41106065) has the molecular formula C18H19F3N4O4S and a molecular weight of 444.44 g/mol. Its IUPAC name is N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID41106065
Molecular FormulaC18H19F3N4O4S
Molecular Weight444.44 g/mol
Exact Mass444.11
IUPAC NameN-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(CSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1)NC[C@H]1CCCO1
InChIInChI=1S/C18H19F3N4O4S/c19-18(20,21)12-4-1-3-11(7-12)16(27)23-9-15-24-25-17(29-15)30-10-14(26)22-8-13-5-2-6-28-13/h1,3-4,7,13H,2,5-6,8-10H2,(H,22,26)(H,23,27)/t13-/m1/s1
InChIKeyDIHAOKFZMJQRAG-CYBMUJFWSA-N
XLogP2.41
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-[[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 18562124
N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 18562109
N-[[5-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
CID 7158763
N-[[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide
CID 3669068
N-[2-[3-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 41050370
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1174649
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 5053666
1-(oxolan-2-ylmethyl)-2-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzimidazole-5-carboxylic acid
CID 42817371
N-(oxolan-2-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 133200584
3-(oxolan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 43044159
N-(oxolan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]benzamide
CID 51067395
N-[[5-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502145

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide (CID 41106065) is N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide is O=C(CSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1)NC[C@H]1CCCO1.
What is the InChIKey of N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is DIHAOKFZMJQRAG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19F3N4O4S/c19-18(20,21)12-4-1-3-11(7-12)16(27)23-9-15-24-25-17(29-15)30-10-14(26)22-8-13-5-2-6-28-13/h1,3-4,7,13H,2,5-6,8-10H2,(H,22,26)(H,23,27)/t13-/m1/s1.
What are the key properties of N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide?
N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 444.44 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 41106065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).